N-ethyl-7-methylnon-1-en-5-amine

C12H25N — CID 104987440

IUPACN-ethyl-7-methylnon-1-en-5-amine
SMILESC=CCCC(CC(C)CC)NCC
InChIInChI=1S/C12H25N/c1-5-8-9-12(13-7-3)10-11(4)6-2/h5,11-13H,1,6-10H2,2-4H3
InChIKeyKBRNIUGSYSXFKI-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.37
Rot. Bonds8

About N-ethyl-7-methylnon-1-en-5-amine

N-ethyl-7-methylnon-1-en-5-amine (PubChem CID 104987440) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-ethyl-7-methylnon-1-en-5-amine.

Molecular Properties

Compound NameN-ethyl-7-methylnon-1-en-5-amine
PubChem CID104987440
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-ethyl-7-methylnon-1-en-5-amine
SMILESC=CCCC(CC(C)CC)NCC
InChIInChI=1S/C12H25N/c1-5-8-9-12(13-7-3)10-11(4)6-2/h5,11-13H,1,6-10H2,2-4H3
InChIKeyKBRNIUGSYSXFKI-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyltridec-1-en-5-amine
CID 104987742
N,3-diethyl-7-methylnonan-5-amine
CID 105028147
N-ethyl-5-methyl-1-methylsulfonylheptan-3-amine
CID 115848324
N-ethyl-1-methylsulfonylhex-5-en-2-amine
CID 115631216
butane;ethane;5-methylhept-1-ene
CID 143370195
1-cyclopentyl-N-ethyl-4-methylhexan-2-amine
CID 115846177
1-N-hept-6-en-3-yl-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717053
(3R)-3-ethyl-2-(ethylamino)-5-methylnon-8-enoic acid;hydrochloride
CID 122613877
N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148561
3-methyldodec-11-en-5-amine
CID 107011856
(3S,5R)-5-methylnon-8-en-3-ol
CID 129386423
3-methylpentadec-14-en-5-ol
CID 10823994

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methylnon-1-en-5-amine?
The IUPAC name of N-ethyl-7-methylnon-1-en-5-amine (CID 104987440) is N-ethyl-7-methylnon-1-en-5-amine.
What is the SMILES notation for N-ethyl-7-methylnon-1-en-5-amine?
The canonical SMILES for N-ethyl-7-methylnon-1-en-5-amine is C=CCCC(CC(C)CC)NCC.
What is the InChIKey of N-ethyl-7-methylnon-1-en-5-amine?
The InChIKey is KBRNIUGSYSXFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-8-9-12(13-7-3)10-11(4)6-2/h5,11-13H,1,6-10H2,2-4H3.
What are the key properties of N-ethyl-7-methylnon-1-en-5-amine?
N-ethyl-7-methylnon-1-en-5-amine has a molecular weight of 183.34 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methylnon-1-en-5-amine is sourced from PubChem (CID 104987440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).